3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H17FN4OS — CID 103382606

IUPAC3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1ccccc1F
InChIInChI=1S/C14H17FN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-5-3-4-6-10(9)15/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyWABHILJIIJPQNP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103382606) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103382606
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1ccccc1F
InChIInChI=1S/C14H17FN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-5-3-4-6-10(9)15/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyWABHILJIIJPQNP-UHFFFAOYSA-N
XLogP2.61
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384824
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103382606) is 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCc1ccccc1F.
What is the InChIKey of 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is WABHILJIIJPQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-5-3-4-6-10(9)15/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).